5-O-desmethyldonepezil glucuronide (Q27272031)

5-o-Desmethyldonepezil glucuronide (English)

14 October 2016

chemical formula

C₂₉H₃₅NO₉

1 reference

5-o-Desmethyldonepezil glucuronide (English)

20 November 2016

canonical SMILES

COC1=C(C=C2CC(C(=O)C2=C1)CC3CCN(CC3)CC4=CC=CC=C4)OC5C(C(C(C(O5)C(=O)O)O)O)O

1 reference

5-o-Desmethyldonepezil glucuronide (English)

20 November 2016

isomeric SMILES

COC1=C(C=C2CC(C(=O)C2=C1)CC3CCN(CC3)CC4=CC=CC=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O

1 reference

5-o-Desmethyldonepezil glucuronide (English)

InChI=1S/C29H35NO9/c1-37-21-14-20-18(13-22(21)38-29-26(34)24(32)25(33)27(39-29)28(35)36)12-19(23(20)31)11-16-7-9-30(10-8-16)15-17-5-3-2-4-6-17/h2-6,13-14,16,19,24-27,29,32-34H,7-12,15H2,1H3,(H,35,36)/t19?,24-,25-,26+,27-,29+/m0/s1

20 November 2016

Identifiers

InChI

1 reference

5-o-Desmethyldonepezil glucuronide (English)

UBLKQFQMHFDJGO-XDBQMMMZSA-N

20 November 2016

InChIKey

1 reference

Global Substance Registration System

5-o-Desmethyldonepezil glucuronide (English)

20 November 2016

1 reference

UNII

97R9M0LYM7

5-O-desmethyldonepezil glucuronide (English)

20 November 2016

1 reference

2-[(1-Benzyl-4-piperidinyl)methyl]-6-methoxy-1-oxo-2,3-dihydro-1H-inden-5-yl beta-D-glucopyranosiduronic acid (English)

20 November 2016

2 references

5-o-Desmethyldonepezil glucuronide (English)

matched by identifier from

20 November 2016

InChIKey

UBLKQFQMHFDJGO-XDBQMMMZSA-N

1 reference

2 references

Global Substance Registration System

UNII

97R9M0LYM7

5-O-desmethyldonepezil glucuronide (English)